SCHEMBL6435008

SCHEMBL6435008

Cc1cccc(Oc2cccc(C(NC[C@@H](O)C(F)(F)F)c3cc(C(F)(F)F)ccc3F)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CETP P11597 12/20 0.40
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 1/20 0.34
AR P10275 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6064713 1.00 CETP (0.40) CETPIDO1TDO2ADRB2ADRB1
SCHEMBL6571229 0.95 CETP (0.41) CETPIDO1TDO2LMNA
SCHEMBL6565905 0.95 CETP (0.41) CETPIDO1TDO2LMNA
SCHEMBL1899658 0.93 CETP (0.42) CETPIDO1TDO2
SCHEMBL5671099 0.93 CETP (0.42) CETPIDO1TDO2
SCHEMBL6430199 0.92 CETP (0.40) CETPADRB2ADRB1SMN1; SMN2LMNA
SCHEMBL6273236 0.92 CETP (0.40) CETPADRB2ADRB1SMN1; SMN2LMNA
SCHEMBL6277313 0.91 CETP (0.43) CETPIDO1TDO2
SCHEMBL5669146 0.91 CETP (0.43) CETPIDO1TDO2
SCHEMBL6566052 0.91 IDO1 (0.43) CETPIDO1TDO2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1578415-A1 DOSAGE FORMS COMPRISING A CETP INHIBITOR AND AN HMG-COA REDUCTASE INHIBITOR Pfizer Products Inc. (US) 2005-09-28 EP disclosed
WO-2004056358-A1 DOSAGE FORMS COMPRISING A CETP INHIBITOR AND AN HMG-COA REDUCTASE INHIBITOR PFIZER PRODUCTS INC. (US) 2004-07-08 WO disclosed